0 mol 62 unq 0 iso 0 dist 8.32519 5.40878 8.21895 11.0738 15.8916 8.2746 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 8.37507 16.6073 9.69694 20.8866 13.0919 5.59552 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 5.58102 5.91879 7.55367 9.32242 4.48773 9.25249 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 5.58102 5.91879 7.55367 6.17173 3.78499 8.41411 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 6.61697 4.68082 7.40338 10.1152 3.74516 9.66068 numMergedOcc 0
5 mol 113 unq 1 iso 0 dist 6.61697 5.60987 6.23759 7.92498 7.1034 5.37302 numMergedOcc 0
6 mol 113 unq 2 iso 0 dist 6.61697 5.60987 6.23759 10.1152 3.74516 8.03783 numMergedOcc 0
7 mol 113 unq 3 iso 0 dist 6.61697 5.60987 6.23759 13.2597 9.72813 8.47541 numMergedOcc 0
8 mol 128 unq 0 iso 0 dist 9.38 10.172 7.4442 8.88867 4.62046 6.03154 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 5.96324 10.7523 9.62774 14.3613 10.5537 6.78469 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 5.96324 10.7523 9.62774 6.74947 5.51254 8.01453 numMergedOcc 0
11 mol 141 unq 2 iso 0 dist 9.22913 14.894 6.75593 8.47476 6 7.6793 numMergedOcc 0
12 mol 169 unq 0 iso 0 dist 6.85177 5.50901 6.35799 8.11268 7.16323 5.51388 numMergedOcc 0
13 mol 169 unq 1 iso 0 dist 6.85177 5.50901 6.35799 10.2888 3.69097 8.17917 numMergedOcc 0
14 mol 169 unq 2 iso 0 dist 6.85177 5.50901 6.35799 13.5403 10.1079 8.68909 numMergedOcc 0
15 mol 188 unq 0 iso 0 dist 9.81333 13.977 8.4784 14.3556 11.2153 9.37017 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 4.72209 5.68053 7.75318 5.91079 3.83801 5.86419 numMergedOcc 0
17 mol 205 unq 1 iso 0 dist 4.72209 5.68053 7.75318 9.86224 9.4797 7.23557 numMergedOcc 0
18 mol 205 unq 2 iso 0 dist 4.72209 5.68053 7.75318 12.7533 13.314 8.86587 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 8.42431 6.43152 5.17607 11.2399 10.8126 9.7402 numMergedOcc 0
20 mol 260 unq 0 iso 0 dist 8.90109 8.565 6.12343 7.46 3.43711 5.68717 numMergedOcc 0
